BDBM50174959 CHEMBL196813::methyl ((S)-2-(((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)(methyl)carbamoyl)chroman-6-yl)methylcarbamate

SMILES COC(=O)NCc1ccc2O[C@@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1

InChI Key InChIKey=PNDTYSVYFUUGGI-UHFFFAOYSA-N

Data  2 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50174959   

TargetCytochrome P450 2D6(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50174959(methyl ((S)-2-(((S)-2-((S)-3-hydroxypyrrolidin-1-y...)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibitory activity against CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50174959(methyl ((S)-2-(((S)-2-((S)-3-hydroxypyrrolidin-1-y...)
Affinity DataKi:  130nMAssay Description:Agonistic activity at kappa opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50174959(methyl ((S)-2-(((S)-2-((S)-3-hydroxypyrrolidin-1-y...)
Affinity DataKi: >5.00E+3nMAssay Description:Agonistic activity at mu opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed